SCHEMBL7322928

SCHEMBL7322928

CC(C)(C)C(Oc1ccccc1)C(=O)C(Oc1ccccc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7037791 0.90 ATM (0.47) ATML3MBTL1MTNR1AMTNR1BGAA
SCHEMBL2108878 0.86 ATM (0.49) ATML3MBTL1MTNR1AMTNR1BGAA
SCHEMBL8695089 0.86 ATM (0.45) ATML3MBTL1MTNR1AMTNR1BGAA
SCHEMBL7898208 0.86 ATM (0.45) ATML3MBTL1MTNR1AMTNR1BGAA
SCHEMBL7898194 0.82 TDP1 (0.49) ATML3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL2558679 0.79 MTNR1A (0.42) ATML3MBTL1MTNR1AMTNR1BGAA
SCHEMBL5503297 0.77 EDNRB (0.44) ATML3MBTL1MTNR1AMTNR1BGAA
SCHEMBL2046224 0.76 ALOX15 (0.44) ATML3MBTL1MTNR1AMTNR1BGAA
SCHEMBL5822084 0.75 ATM (0.45) ATML3MBTL1MTNR1AMTNR1BGAA
SCHEMBL16753741 0.74 PLG (0.41) ATML3MBTL1CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed